General Information of the Compound
| Compound ID |
CP0331561
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-ethoxyphenyl)-1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypentoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H48N2O4
|
||||||||||||||||||
| Molecular Weight |
548.768
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(NC(=O)c2ccc(n2CC)C(CC)(CC)c2ccc(OCCC(O)(CC)CC)c(C)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H48N2O4/c1-8-33(38,9-2)22-23-40-30-20-14-26(24-25(30)7)34(10-3,11-4)31-21-19-29(36(31)12-5)32(37)35-27-15-17-28(18-16-27)39-13-6/h14-21,24,38H,8-13,22-23H2,1-7H3,(H,35,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RQLWNHMABMTKCR-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02378, Vitamin D3 receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000034 | Caco-2 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 50000 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|
| CL000159 | L-02 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 50000 nM
|
TI
LI
LO
TS
|
|